(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide

C16H24N2O3S — CID 95312212

IUPAC(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide
SMILESCOCCN1CCC[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2O3S/c1-21-12-11-18-10-5-8-16(14-18)17-22(19,20)13-9-15-6-3-2-4-7-15/h2-4,6-7,9,13,16-17H,5,8,10-12,14H2,1H3/b13-9+/t16-/m1/s1
InChIKeyDHOJKQYMXJPUSU-LRFDDAOPSA-N
MW324.45 g/mol
LogP1.69
Rot. Bonds7

About (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide

(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide (PubChem CID 95312212) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide
PubChem CID95312212
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide
SMILESCOCCN1CCC[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2O3S/c1-21-12-11-18-10-5-8-16(14-18)17-22(19,20)13-9-15-6-3-2-4-7-15/h2-4,6-7,9,13,16-17H,5,8,10-12,14H2,1H3/b13-9+/t16-/m1/s1
InChIKeyDHOJKQYMXJPUSU-LRFDDAOPSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
(E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide
CID 75364443
N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine
CID 66569635
N-(azetidin-3-yl)-2-phenylethenesulfonamide
CID 77114365
N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55655606
N-cyclopentyl-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616375
N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616373
N-[1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 56801932
N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 95599233
3-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-phenylpropanamide
CID 95159240
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
CID 56802015

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide (CID 95312212) is (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide is COCCN1CCC[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1.
What is the InChIKey of (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide?
The InChIKey is DHOJKQYMXJPUSU-LRFDDAOPSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-21-12-11-18-10-5-8-16(14-18)17-22(19,20)13-9-15-6-3-2-4-7-15/h2-4,6-7,9,13,16-17H,5,8,10-12,14H2,1H3/b13-9+/t16-/m1/s1.
What are the key properties of (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide?
(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 95312212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).